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{
"id": "mp-1211571",
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"structure_string": "K2 Li2 Dy4 Mo8 O32\n1.0\n6.384111 2.637954 0.000000\n-6.384111 2.637954 0.000000\n0.000000 1.088215 19.611964\nK Li Dy Mo O\n2 2 4 8 32\ndirect\n0.531000 0.469000 0.250000 K\n0.469000 0.531000 0.750000 K\n0.813364 0.186636 0.250000 Li\n0.186636 0.813364 0.750000 Li\n0.647994 0.354133 0.032239 Dy\n0.352006 0.645867 0.967761 Dy\n0.645867 0.352006 0.467761 Dy\n0.354133 0.647994 0.532239 Dy\n0.918437 0.042978 0.091527 Mo\n0.081563 0.957022 0.908473 Mo\n0.957022 0.081563 0.408473 Mo\n0.042978 0.918437 0.591527 Mo\n0.231958 0.747223 0.147816 Mo\n0.768042 0.252777 0.852184 Mo\n0.252777 0.768042 0.352184 Mo\n0.747223 0.231958 0.647816 Mo\n0.666414 0.006003 0.042088 O\n0.333586 0.993997 0.957912 O\n0.993997 0.333586 0.457912 O\n0.006003 0.666414 0.542088 O\n0.489791 0.768081 0.173107 O\n0.510209 0.231919 0.826893 O\n0.231919 0.510209 0.326893 O\n0.768081 0.489791 0.673107 O\n0.721119 0.760566 0.462983 O\n0.278881 0.239434 0.537017 O\n0.239434 0.278881 0.037017 O\n0.760566 0.721119 0.962983 O\n0.437438 0.917279 0.433528 O\n0.562562 0.082721 0.566472 O\n0.082721 0.562562 0.066472 O\n0.917279 0.437438 0.933528 O\n0.800224 0.982982 0.329551 O\n0.199776 0.017018 0.670449 O\n0.017018 0.199776 0.170449 O\n0.982982 0.800224 0.829551 O\n0.721041 0.812930 0.601250 O\n0.278959 0.187070 0.398750 O\n0.187070 0.278959 0.898750 O\n0.812930 0.721041 0.101250 O\n0.399944 0.098341 0.131924 O\n0.600056 0.901659 0.868076 O\n0.901659 0.600056 0.368076 O\n0.098341 0.399944 0.631924 O\n0.434851 0.028540 0.286270 O\n0.565149 0.971460 0.713730 O\n0.971460 0.565149 0.213730 O\n0.028540 0.434851 0.786270 O\n",
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"formula_full": "K2 Li2 Dy4 Mo8 O32",
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"spacegroup": 15
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{
"id": "mp-644271",
"created_at": "2022-09-04T14:46:17.785295Z",
"structure_string": "Li2 H2 S2\n1.0\n2.761793 -2.816207 0.000000\n2.761793 2.816207 0.000000\n0.000000 0.000000 6.174690\nLi H S\n2 2 2\ndirect\n0.501579 0.501579 0.000000 Li\n0.501579 0.501579 0.500000 Li\n0.133294 0.983815 0.750000 H\n0.983815 0.133294 0.250000 H\n0.998790 0.474944 0.250000 S\n0.474944 0.998790 0.750000 S\n",
"nsites": 6,
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"volume": 96.05077039843177,
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"formula_full": "Li2 H2 S2",
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"spacegroup": 40
},
{
"id": "mp-27311",
"created_at": "2022-09-04T14:46:13.806882Z",
"structure_string": "La2 C2 O2\n1.0\n2.005574 3.545571 0.000000\n-2.005574 3.545571 0.000000\n0.000000 0.680257 7.335800\nLa C O\n2 2 2\ndirect\n0.683567 0.683567 0.292455 La\n0.316433 0.316433 0.707545 La\n0.960752 0.960752 0.926683 C\n0.039248 0.039248 0.073317 C\n0.347352 0.347352 0.379302 O\n0.652648 0.652648 0.620698 O\n",
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"formula_full": "La2 C2 O2",
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},
{
"id": "mp-1223810",
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"structure_string": "K2 Na1 Cl3\n1.0\n-2.202786 2.202786 9.167381\n2.202786 -2.202786 9.167381\n2.202786 2.202786 -9.167381\nK Na Cl\n2 1 3\ndirect\n0.334256 0.334256 0.000000 K\n0.665744 0.665744 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.842090 0.842090 0.000000 Cl\n0.157910 0.157910 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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"formula_full": "K2 Na1 Cl3",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:37:31.240000Z",
"spacegroup": 139
},
{
"id": "mp-34081",
"created_at": "2022-09-04T14:46:13.813072Z",
"structure_string": "Na2 Y2 F8\n1.0\n-2.749004 2.749004 5.411456\n2.749004 -2.749004 5.411456\n2.749004 2.749004 -5.411456\nNa Y F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.105974 0.125000 0.480974 F\n0.875000 0.355974 0.980974 F\n0.644026 0.125000 0.019026 F\n0.644026 0.625000 0.519026 F\n0.375000 0.355974 0.480974 F\n0.105974 0.625000 0.980974 F\n0.375000 0.894026 0.019026 F\n0.875000 0.894026 0.519026 F\n",
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"elements": [
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"Y",
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"chemical_system": "F-Na-Y",
"density": 3.8146624827892306,
"density_atomic": 0.07335950286306564,
"volume": 163.57798964913172,
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"formula_full": "Na2 Y2 F8",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy": -78.49289963,
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"spacegroup": 141
},
{
"id": "mp-22579",
"created_at": "2022-09-04T14:46:17.890421Z",
"structure_string": "Mn4 Se4 O16\n1.0\n5.085280 0.000000 0.000000\n0.000000 7.076575 0.000000\n0.000000 0.000000 9.366920\nMn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.525854 0.750000 0.819379 Se\n0.025854 0.250000 0.680621 Se\n0.474146 0.250000 0.180621 Se\n0.974146 0.750000 0.319379 Se\n0.174825 0.447036 0.625442 O\n0.674825 0.552964 0.874558 O\n0.825175 0.947036 0.374558 O\n0.325175 0.052964 0.125442 O\n0.825175 0.552964 0.374558 O\n0.325175 0.447036 0.125442 O\n0.174825 0.052964 0.625442 O\n0.674825 0.947036 0.874558 O\n0.211722 0.750000 0.878977 O\n0.711722 0.250000 0.621023 O\n0.788278 0.250000 0.121023 O\n0.288278 0.750000 0.378977 O\n0.550543 0.750000 0.636901 O\n0.050543 0.250000 0.863099 O\n0.449457 0.250000 0.363099 O\n0.949457 0.750000 0.136901 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Mn-O-Se",
"density": 3.8995144170222336,
"density_atomic": 0.07119941843006984,
"volume": 337.0814050057467,
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"formula_full": "Mn4 Se4 O16",
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"updated_at": "2021-11-28T01:37:31.353000Z",
"spacegroup": 62
},
{
"id": "mp-505031",
"created_at": "2022-09-04T14:46:18.011235Z",
"structure_string": "Cs4 Cu3 F10\n1.0\n3.147269 7.125828 0.000000\n-3.147269 7.125828 0.000000\n0.000000 3.675781 7.219056\nCs Cu F\n4 3 10\ndirect\n0.812928 0.812928 0.284250 Cs\n0.187072 0.187072 0.715750 Cs\n0.464969 0.464969 0.785333 Cs\n0.535031 0.535031 0.214667 Cs\n0.197750 0.197750 0.182912 Cu\n0.802250 0.802250 0.817088 Cu\n0.000000 0.000000 0.500000 Cu\n0.897153 0.322456 0.435400 F\n0.678368 0.678368 0.780733 F\n0.935548 0.935548 0.829113 F\n0.102847 0.677544 0.564600 F\n0.064452 0.064452 0.170887 F\n0.677544 0.102847 0.564600 F\n0.322456 0.897153 0.435400 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.321632 0.321632 0.219267 F\n",
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"density": 4.678217733878914,
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"formula_full": "Cs4 Cu3 F10",
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{
"id": "mp-600028",
"created_at": "2022-09-04T14:46:14.133183Z",
"structure_string": "Si24 O48\n1.0\n-6.821267 6.821267 6.821267\n6.821267 -6.821267 6.821267\n6.821267 6.821267 -6.821267\nSi O\n24 48\ndirect\n0.713600 0.786400 0.250000 Si\n0.463600 0.250000 0.036400 Si\n0.036400 0.072800 0.786400 Si\n0.427200 0.463600 0.713600 Si\n0.250000 0.036400 0.463600 Si\n0.786400 0.036400 0.072800 Si\n0.463600 0.713600 0.427200 Si\n0.250000 0.713600 0.786400 Si\n0.786400 0.250000 0.713600 Si\n0.072800 0.786400 0.036400 Si\n0.713600 0.427200 0.463600 Si\n0.036400 0.463600 0.250000 Si\n0.286400 0.213600 0.750000 Si\n0.536400 0.750000 0.963600 Si\n0.963600 0.927200 0.213600 Si\n0.572800 0.536400 0.286400 Si\n0.750000 0.963600 0.536400 Si\n0.213600 0.963600 0.927200 Si\n0.536400 0.286400 0.572800 Si\n0.750000 0.286400 0.213600 Si\n0.213600 0.750000 0.286400 Si\n0.927200 0.213600 0.963600 Si\n0.286400 0.572800 0.536400 Si\n0.963600 0.536400 0.750000 Si\n0.587840 0.760297 0.114198 O\n0.353901 0.114198 0.026357 O\n0.146099 0.172456 0.760297 O\n0.327544 0.473643 0.587840 O\n0.114198 0.026357 0.353901 O\n0.760297 0.146099 0.172456 O\n0.473643 0.587840 0.327544 O\n0.114198 0.587840 0.760297 O\n0.760297 0.114198 0.587840 O\n0.026357 0.172456 0.912160 O\n0.385802 0.146099 0.473643 O\n0.473643 0.385802 0.146099 O\n0.327544 0.353901 0.739703 O\n0.172456 0.912160 0.026357 O\n0.739703 0.327544 0.353901 O\n0.912160 0.026357 0.172456 O\n0.353901 0.739703 0.327544 O\n0.146099 0.473643 0.385802 O\n0.026357 0.353901 0.114198 O\n0.739703 0.912160 0.385802 O\n0.172456 0.760297 0.146099 O\n0.385802 0.739703 0.912160 O\n0.587840 0.327544 0.473643 O\n0.912160 0.385802 0.739703 O\n0.412160 0.239703 0.885802 O\n0.646099 0.885802 0.973643 O\n0.853901 0.827544 0.239703 O\n0.672456 0.526357 0.412160 O\n0.885802 0.973643 0.646099 O\n0.239703 0.853901 0.827544 O\n0.526357 0.412160 0.672456 O\n0.885802 0.412160 0.239703 O\n0.239703 0.885802 0.412160 O\n0.973643 0.827544 0.087840 O\n0.614198 0.853901 0.526357 O\n0.526357 0.614198 0.853901 O\n0.672456 0.646099 0.260297 O\n0.827544 0.087840 0.973643 O\n0.260297 0.672456 0.646099 O\n0.087840 0.973643 0.827544 O\n0.646099 0.260297 0.672456 O\n0.853901 0.526357 0.614198 O\n0.973643 0.646099 0.885802 O\n0.260297 0.087840 0.614198 O\n0.827544 0.239703 0.853901 O\n0.614198 0.260297 0.087840 O\n0.412160 0.672456 0.526357 O\n0.087840 0.614198 0.260297 O\n",
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"formula_full": "Si24 O48",
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{
"id": "mp-690703",
"created_at": "2022-09-04T14:46:18.132154Z",
"structure_string": "Ba4 H16 Cl8 O8\n1.0\n11.054565 0.000000 0.000000\n0.000000 6.819024 0.000000\n0.000000 6.679235 7.182636\nBa H Cl O\n4 16 8 8\ndirect\n0.783395 0.105489 0.853903 Ba\n0.716605 0.105489 0.353903 Ba\n0.216605 0.894511 0.146097 Ba\n0.283395 0.894511 0.646097 Ba\n0.560922 0.528051 0.618390 H\n0.939078 0.528051 0.118390 H\n0.439078 0.471949 0.381610 H\n0.060922 0.471949 0.881610 H\n0.625268 0.566407 0.457078 H\n0.874732 0.566407 0.957078 H\n0.374732 0.433593 0.542922 H\n0.125268 0.433593 0.042922 H\n0.637527 0.504212 0.900491 H\n0.862473 0.504212 0.400491 H\n0.362473 0.495788 0.099509 H\n0.137527 0.495788 0.599509 H\n0.564182 0.239570 0.011743 H\n0.935818 0.239570 0.511743 H\n0.435818 0.760430 0.988257 H\n0.064182 0.760430 0.488257 H\n0.581443 0.927460 0.708128 Cl\n0.918557 0.927460 0.208128 Cl\n0.418557 0.072540 0.291872 Cl\n0.081443 0.072540 0.791872 Cl\n0.603283 0.657755 0.200840 Cl\n0.896717 0.657755 0.700840 Cl\n0.396717 0.342245 0.799160 Cl\n0.103283 0.342245 0.299160 Cl\n0.640175 0.563537 0.558584 O\n0.859825 0.563537 0.058584 O\n0.359825 0.436463 0.441416 O\n0.140175 0.436463 0.941416 O\n0.646978 0.306495 0.993104 O\n0.853022 0.306495 0.493104 O\n0.353022 0.693505 0.006896 O\n0.146978 0.693505 0.506896 O\n",
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{
"id": "mp-1076821",
"created_at": "2022-09-04T14:46:18.030879Z",
"structure_string": "K4 Na28 V28 Cr4 O80\n1.0\n-0.002383 0.040713 10.891907\n11.189665 -0.002907 -0.002439\n-5.597559 14.591590 -5.388176\nK Na V Cr O\n4 28 28 4 80\ndirect\n0.305723 0.063707 0.111859 K\n0.804670 0.064217 0.112404 K\n0.056741 0.795411 0.113045 K\n0.555572 0.797000 0.114007 K\n0.304082 0.067543 0.607411 Na\n0.301138 0.566059 0.104476 Na\n0.303785 0.567520 0.607552 Na\n0.804294 0.067694 0.607551 Na\n0.803185 0.564833 0.104360 Na\n0.804250 0.567429 0.607678 Na\n0.197545 0.434032 0.393890 Na\n0.196087 0.433403 0.893005 Na\n0.197526 0.933151 0.395120 Na\n0.198371 0.933098 0.893611 Na\n0.697720 0.434010 0.394057 Na\n0.699457 0.434435 0.894152 Na\n0.697550 0.933157 0.395186 Na\n0.697085 0.933422 0.892807 Na\n0.053656 0.290673 0.105084 Na\n0.054223 0.289883 0.607592 Na\n0.054281 0.790092 0.607708 Na\n0.553116 0.290171 0.104634 Na\n0.554412 0.289607 0.607375 Na\n0.554076 0.790157 0.607456 Na\n0.447652 0.211981 0.395141 Na\n0.448153 0.210602 0.893619 Na\n0.447501 0.709686 0.393693 Na\n0.445561 0.710626 0.892939 Na\n0.947616 0.212102 0.395233 Na\n0.949125 0.211842 0.893474 Na\n0.947660 0.709837 0.393880 Na\n0.950457 0.709251 0.893672 Na\n0.006715 0.999844 0.500534 V\n0.006424 0.500618 0.500394 V\n0.506516 0.999652 0.500178 V\n0.502036 0.497297 0.996704 V\n0.506149 0.500239 0.499840 V\n0.253790 0.250315 0.997321 V\n0.256721 0.250644 0.500588 V\n0.256344 0.749737 0.500131 V\n0.755857 0.249389 0.996572 V\n0.756857 0.250737 0.500784 V\n0.750397 0.745040 0.990979 V\n0.756274 0.749670 0.500100 V\n0.110903 0.095850 0.254178 V\n0.104111 0.089649 0.750251 V\n0.104171 0.586245 0.250201 V\n0.103316 0.587314 0.749272 V\n0.611136 0.096035 0.254447 V\n0.603672 0.090190 0.750169 V\n0.604249 0.586164 0.250389 V\n0.602220 0.586135 0.748090 V\n0.353904 0.413502 0.250387 V\n0.354320 0.409561 0.750290 V\n0.361203 0.909395 0.254835 V\n0.354079 0.911552 0.749709 V\n0.853690 0.413753 0.250274 V\n0.854682 0.410218 0.750809 V\n0.861512 0.909422 0.255022 V\n0.853471 0.911683 0.749613 V\n0.001426 0.998829 0.995134 Cr\n0.005889 0.498398 0.997711 Cr\n0.500532 0.997663 0.995143 Cr\n0.245543 0.752160 0.993585 Cr\n0.119015 0.112593 0.489595 O\n0.126186 0.128372 0.986649 O\n0.119017 0.612382 0.489013 O\n0.130673 0.616266 0.982708 O\n0.619039 0.112597 0.489668 O\n0.627169 0.132598 0.987675 O\n0.619041 0.612415 0.488994 O\n0.629874 0.621425 0.985505 O\n0.139765 0.372580 0.008026 O\n0.143704 0.372341 0.511818 O\n0.130982 0.872439 0.003194 O\n0.144352 0.871709 0.511899 O\n0.633962 0.379800 0.006943 O\n0.643726 0.372309 0.511884 O\n0.634520 0.866242 0.000217 O\n0.644272 0.871688 0.511801 O\n0.368887 0.126932 0.489311 O\n0.368966 0.125168 0.985925 O\n0.369010 0.626695 0.489038 O\n0.381259 0.605360 0.986651 O\n0.868958 0.127048 0.489510 O\n0.868007 0.126898 0.986006 O\n0.869084 0.626728 0.489142 O\n0.867761 0.621137 0.985628 O\n0.381043 0.373028 0.007891 O\n0.394196 0.390023 0.511754 O\n0.378771 0.870184 0.001839 O\n0.393700 0.889578 0.511954 O\n0.877626 0.375115 0.007749 O\n0.894261 0.390061 0.511784 O\n0.874485 0.870070 0.000967 O\n0.893717 0.889580 0.511968 O\n0.072580 0.095026 0.140143 O\n0.082845 0.099808 0.641872 O\n0.081467 0.583143 0.138527 O\n0.082385 0.599570 0.641217 O\n0.574699 0.094238 0.140395 O\n0.582879 0.100006 0.641956 O\n0.583340 0.583513 0.139046 O\n0.582292 0.599408 0.640860 O\n0.442376 0.400289 0.357882 O\n0.442672 0.397703 0.857434 O\n0.447217 0.894488 0.361614 O\n0.443960 0.902966 0.857476 O\n0.942126 0.400141 0.357515 O\n0.940997 0.399341 0.858513 O\n0.947491 0.894628 0.361805 O\n0.939541 0.902943 0.857869 O\n0.331167 0.302523 0.139162 O\n0.332736 0.291698 0.641489 O\n0.325052 0.796428 0.142142 O\n0.332656 0.791603 0.641534 O\n0.829103 0.303934 0.137880 O\n0.832889 0.291838 0.642033 O\n0.825165 0.797406 0.141976 O\n0.832603 0.791670 0.641591 O\n0.196879 0.216761 0.361061 O\n0.191067 0.209303 0.857868 O\n0.192215 0.707474 0.357741 O\n0.190825 0.706500 0.856034 O\n0.696999 0.217028 0.361349 O\n0.690393 0.209760 0.858838 O\n0.692376 0.707535 0.357881 O\n0.690399 0.705054 0.855822 O\n0.449951 0.058597 0.263390 O\n0.432860 0.060725 0.749541 O\n0.433040 0.563197 0.251586 O\n0.432511 0.559183 0.749829 O\n0.949902 0.058713 0.263486 O\n0.932895 0.060688 0.749854 O\n0.933183 0.563314 0.251935 O\n0.932581 0.559165 0.749755 O\n0.183178 0.437830 0.252170 O\n0.183054 0.438744 0.749789 O\n0.199690 0.955959 0.263577 O\n0.183284 0.940644 0.750354 O\n0.683500 0.437933 0.252583 O\n0.682739 0.438995 0.749579 O\n0.700218 0.956371 0.264021 O\n0.682612 0.941329 0.750014 O\n",
"nsites": 144,
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"elements": [
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"Na",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-K-Na-O-V",
"density": 3.4638479856378184,
"density_atomic": 0.08086916284624603,
"volume": 1780.6540210362093,
"volume_molar": 7.4467702496805925,
"formula_full": "K4 Na28 V28 Cr4 O80",
"formula_reduced": "KNa7V7CrO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1057.76387923,
"energy_per_atom": -7.345582494652778,
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"energy_uncorrected": -947.20787923,
"band_gap": 0.5669,
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"is_magnetic": true,
"total_magnetization": 35.6994743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.015000Z",
"spacegroup": 1
},
{
"id": "mp-559939",
"created_at": "2022-09-04T14:46:18.301038Z",
"structure_string": "Ba4 P8 O24\n1.0\n6.990060 0.000000 0.000000\n0.000000 7.673851 0.000000\n0.000000 6.855308 9.823238\nBa P O\n4 8 24\ndirect\n0.097348 0.319671 0.825533 Ba\n0.402652 0.319671 0.325533 Ba\n0.597348 0.680329 0.674467 Ba\n0.902652 0.680329 0.174467 Ba\n0.105285 0.955904 0.664087 P\n0.204910 0.707981 0.420627 P\n0.605285 0.044096 0.835913 P\n0.795090 0.292019 0.579373 P\n0.704910 0.292019 0.079373 P\n0.295090 0.707981 0.920627 P\n0.394715 0.955904 0.164087 P\n0.894715 0.044096 0.335913 P\n0.224329 0.614179 0.062103 O\n0.031343 0.209639 0.316559 O\n0.498171 0.181152 0.102293 O\n0.998171 0.818848 0.397707 O\n0.157587 0.906545 0.814660 O\n0.342413 0.906545 0.314660 O\n0.001829 0.181152 0.602293 O\n0.818146 0.432085 0.629193 O\n0.724329 0.385821 0.437897 O\n0.842413 0.093455 0.185340 O\n0.775671 0.385821 0.937897 O\n0.789426 0.001440 0.912567 O\n0.275671 0.614179 0.562103 O\n0.181854 0.567915 0.370807 O\n0.531343 0.790361 0.183441 O\n0.710574 0.001440 0.412567 O\n0.289426 0.998560 0.587433 O\n0.657587 0.093455 0.685340 O\n0.468657 0.209639 0.816559 O\n0.501829 0.818848 0.897707 O\n0.210574 0.998560 0.087433 O\n0.318146 0.567915 0.870807 O\n0.968657 0.790361 0.683441 O\n0.681854 0.432085 0.129193 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Ba-O-P",
"density": 3.722038315261515,
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"volume": 526.9251555231556,
"volume_molar": 8.81449293484815,
"formula_full": "Ba4 P8 O24",
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"updated_at": "2021-11-28T01:37:24.429000Z",
"spacegroup": 14
},
{
"id": "mp-774082",
"created_at": "2022-09-04T14:46:18.463956Z",
"structure_string": "Li8 Co16 O32\n1.0\n8.057655 -0.002095 -0.001554\n-0.002107 8.065880 -0.004177\n-0.001548 -0.004132 8.067800\nLi Co O\n8 16 32\ndirect\n0.999008 0.997121 0.000353 Li\n0.251772 0.250825 0.247911 Li\n0.252077 0.749573 0.748801 Li\n0.499210 0.996067 0.501490 Li\n0.498427 0.502334 0.001685 Li\n0.747822 0.249995 0.750818 Li\n0.749079 0.750315 0.247381 Li\n0.000552 0.503794 0.500514 Li\n0.124276 0.125295 0.624417 Co\n0.123440 0.376266 0.875472 Co\n0.126782 0.873987 0.372244 Co\n0.125699 0.625458 0.125558 Co\n0.374732 0.374488 0.624284 Co\n0.375217 0.123039 0.877610 Co\n0.375812 0.625164 0.374845 Co\n0.375782 0.874312 0.124731 Co\n0.624094 0.375615 0.375757 Co\n0.625456 0.123426 0.124809 Co\n0.625257 0.626306 0.626238 Co\n0.625453 0.874421 0.875327 Co\n0.874087 0.124663 0.374422 Co\n0.875717 0.377105 0.125518 Co\n0.874892 0.874962 0.625406 Co\n0.874736 0.625454 0.873373 Co\n0.109464 0.111932 0.387274 O\n0.116963 0.892661 0.609151 O\n0.115585 0.607205 0.888773 O\n0.134140 0.141035 0.860993 O\n0.108315 0.386757 0.111882 O\n0.135051 0.358372 0.638091 O\n0.139620 0.642128 0.361802 O\n0.136021 0.861473 0.141182 O\n0.356805 0.133737 0.641148 O\n0.357166 0.360810 0.862552 O\n0.361163 0.638641 0.139938 O\n0.390701 0.608647 0.613981 O\n0.359266 0.861168 0.362451 O\n0.391362 0.386116 0.388477 O\n0.390785 0.115075 0.108103 O\n0.388006 0.892106 0.885938 O\n0.610411 0.388544 0.609423 O\n0.616562 0.609468 0.390363 O\n0.612035 0.889441 0.111445 O\n0.641118 0.363746 0.141494 O\n0.609030 0.111145 0.889825 O\n0.638962 0.140025 0.366056 O\n0.640417 0.859586 0.637044 O\n0.637503 0.636145 0.857835 O\n0.860133 0.360961 0.363348 O\n0.865889 0.141348 0.142510 O\n0.862236 0.860535 0.859721 O\n0.889613 0.891634 0.385188 O\n0.859525 0.641244 0.636777 O\n0.890565 0.117177 0.607976 O\n0.891048 0.384382 0.890779 O\n0.885165 0.606910 0.109656 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O",
"density": 4.7834051294533495,
"density_atomic": 0.10680034096630743,
"volume": 524.3428952878199,
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"formula_full": "Li8 Co16 O32",
"formula_reduced": "Li(CoO2)2",
"formula_anonymous": "AB2C4",
"energy": -372.10359259,
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"updated_at": "2021-11-28T01:37:33.849000Z",
"spacegroup": 4
}
]
}